Jochim Aleksej, Jess Inke, Näther Christian
Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth Strasse 2, D-24118 Kiel, Germany.
Acta Crystallogr E Crystallogr Commun. 2017 Mar 3;73(Pt 4):463-466. doi: 10.1107/S205698901700322X. eCollection 2017 Apr 1.
The asymmetric unit of the title compound, [Fe(NCS)(CHN)(HO)]·2CHN, comprises one Fe cation occupying an inversion centre as well as one thio-cyanate anion, one water mol-ecule and two 4-cyano-pyridine mol-ecules in general positions. The iron cations are coordinated by two N-bonded thiocyanate anions, two (pyridine)N-bonded 4-cyano-pyridine ligands and two water mol-ecules into discrete complexes. The resulting coordination polyhedron can be described as a slightly distorted octa-hedron. The discrete complexes are connected through centrosymmetric pairs of (pyridine)C-H⋯N(cyano) hydrogen bonds into chains that are further linked into a three-dimensional network through inter-molecular O-H⋯N hydrogen bonds involving the 4-cyano-pyridine solvent mol-ecules.
标题化合物[Fe(NCS)(CHN)(HO)]·2CHN的不对称单元包含一个位于对称中心的铁阳离子,以及一个硫氰酸根阴离子、一个水分子和两个处于一般位置的4-氰基吡啶分子。铁阳离子由两个通过氮原子键合的硫氰酸根阴离子、两个通过(吡啶)氮原子键合的4-氰基吡啶配体和两个水分子配位形成离散的配合物。由此产生的配位多面体可描述为一个略有扭曲的八面体。离散的配合物通过(吡啶)C-H⋯N(氰基)氢键的中心对称对连接成链,这些链通过涉及4-氰基吡啶溶剂分子的分子间O-H⋯N氢键进一步连接成三维网络。